Structure Information
Structure

Compound Identification

SMILES

COC1=CC23CC(CC4=CC(OC)=C(OC)C=C24)N(CCC2=CC(OC)=C(OC)C=C2)CC3=CC1=O

InChIKey

InChIKey=NXMHUQDKXSMTOU-UHFFFAOYSA-N

Formula

C29H33NO6

Mass

491.584

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinolones and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolones and derivatives

Alternative Parents

Tetralins Dimethoxybenzenes Phenethylamines Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Piperidines Trialkylamines Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoquinolone - Tetralin - Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Aralkylamine - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary amine - Ketone - Tertiary aliphatic amine - Cyclic ketone - Azacycle - Ether - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.

External Descriptors

Not available

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